1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F864-0717 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-3-carboxamide |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C23 H22 N6 O5 S |
| Smiles: | C1CC(CN(C1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)C(NCc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2861 |
| logD: | 1.2713 |
| logSw: | -2.4157 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.487 |
| InChI Key: | RXQYJVKTLLPLPM-AWEZNQCLSA-N |